Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1400 0.7263 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5651 -0.4982 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1747 -0.3903 0.4828 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7773 -0.1953 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4105 -0.1020 -1.6688 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 -0.0892 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5841 -0.1887 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3736 0.1624 -1.4643 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4241 1.5033 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1317 0.4148 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5448 1.1281 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -1.4333 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0421 -0.5837 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6244 -0.1133 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8557 -0.3409 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers